N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C23H27NO3 — CID 100670206

IUPACN-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCC1(C)C[C@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2O1
InChIInChI=1S/C23H27NO3/c1-23(2)14-19(18-11-5-6-12-21(18)27-23)24-22(25)15-26-20-13-7-9-16-8-3-4-10-17(16)20/h5-7,9,11-13,19H,3-4,8,10,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyFSGXKMBZPQNQDH-IBGZPJMESA-N
MW365.47 g/mol
LogP4.36
Rot. Bonds4

About N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100670206) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100670206
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCC1(C)C[C@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2O1
InChIInChI=1S/C23H27NO3/c1-23(2)14-19(18-11-5-6-12-21(18)27-23)24-22(25)15-26-20-13-7-9-16-8-3-4-10-17(16)20/h5-7,9,11-13,19H,3-4,8,10,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyFSGXKMBZPQNQDH-IBGZPJMESA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100545801
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 99993350
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
2-(2-bromo-4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132673742
2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652411
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758263
(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100575737

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100670206) is N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is CC1(C)C[C@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2O1.
What is the InChIKey of N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is FSGXKMBZPQNQDH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27NO3/c1-23(2)14-19(18-11-5-6-12-21(18)27-23)24-22(25)15-26-20-13-7-9-16-8-3-4-10-17(16)20/h5-7,9,11-13,19H,3-4,8,10,14-15H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 365.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).